Name: title compound
SMILES:
Cc1cccc(C)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c2nccnc12Molecular Processing
Molecular formula
C27H28N6O
Molecular weight
452.56
Exact mass
452.2325
XLogP
4.31
TPSA
74.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
136.35
Supplementary Information
Details werden geladen…
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